-
Name
Hydroxymethyl-7-Aminocephalosporanic acid
- EINECS 239-787-2
- CAS No. 15690-38-7
- Article Data16
- CAS DataBase
- Density 1.749 g/cm3
- Solubility
- Melting Point
- Formula C8H10N2O4S
- Boiling Point 617.905 °C at 760 mmHg
- Molecular Weight 230.244
- Flash Point 327.498 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-3-(hydroxymethyl)-8-oxo- (7CI,8CI);5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid,7-amino-3-(hydroxymethyl)-8-oxo-, (6R-trans)-;(6R,7R)-7-Amino-3-hydroxymethylceph-3-em-4-carboxylic acid;3-Hydroxymethyl-7-aminoceph-3-em-4-carboxylic acid;7-Amino-3-hydroxymethyl-3-cephem-4-carboxylicacid;7-Amino-deacetylcephalosporanic acid;7b-Amino-3-(hydroxymethyl)-3-cephem-4-carboxylic acid;Deacetyl-7-aminocephalosporanic acid;
- PSA 129.16000
- LogP -0.80200
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-3-(hydroxymethyl)-8-oxo-, (6R,7R)- Specification
The 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-3-(hydroxymethyl)-8-oxo-, (6R,7R)- is an organic compound with the formula C8H10N2O4S. The IUPAC name of this chemical is 7-Amino-3-(hydroxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid. With the CAS registry number 15690-38-7, it is also named as Hydroxymethyl-7-aminocephalosporanic acid. Besides, its molecular weight is 230.241.
Physical properties about 5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylicacid, 7-amino-3-(hydroxymethyl)-8-oxo-, (6R,7R)- are: (1)ACD/LogP: -2.15; (2)ACD/LogD (pH 5.5): -4; (3)ACD/LogD (pH 7.4): -5; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 129.16 Å2; (12)Index of Refraction: 1.743; (13)Molar Refractivity: 53.232 cm3; (14)Molar Volume: 131.615 cm3; (15)Polarizability: 21.103×10-24 cm3; (16)Surface Tension: 103.959 dyne/cm; (17)Density: 1.749 g/cm3; (18)Flash Point: 327.498 °C; (19)Enthalpy of Vaporization: 105.051 kJ/mol; (20)Boiling Point: 617.905 °C at 760.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C8H10N2O4S/c9-4-6(12)10-5(8(13)14)3(1-11)2-15-7(4)10/h4,7,11H,1-2,9H2,(H,13,14)/t4-,7-/m1/s1
(2)InChIKey: BQIMPGFMMOZASS-CLZZGJSIBA
(3)Std. InChI: InChI=1S/C8H10N2O4S/c9-4-6(12)10-5(8(13)14)3(1-11)2-15-7(4)10/h4,7,11H,1-2,9H2,(H,13,14)/t4-,7-/m1/s1
(4)Std. InChIKey: BQIMPGFMMOZASS-CLZZGJSISA-N
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